Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "75e55e4bf0669bdb470d83d34e7f4d18",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 83.802,
"b": 91.466,
"c": 118.707,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99998],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.44,2.540],
"number_observations": 202179,
"number_observations_unique": 30789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 9.520
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.567
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.610,2.540],
"number_observations": 14439,
"number_observations_unique": 2209,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.384
},
{
"type": "R(meas)",
"value": 2.592
},
{
"type": "I/SigI",
"value": 0.840
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.536
},
{
"type": "CC(1/2)",
"value": 0.287
}
]
},
{
"resolution_limits": [2.680,2.610],
"number_observations": 14233,
"number_observations_unique": 2206,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.833
},
{
"type": "R(meas)",
"value": 1.995
},
{
"type": "I/SigI",
"value": 1.110
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.452
},
{
"type": "CC(1/2)",
"value": 0.486
}
]
},
{
"resolution_limits": [2.760,2.680],
"number_observations": 13856,
"number_observations_unique": 2109,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.365
},
{
"type": "R(meas)",
"value": 1.483
},
{
"type": "I/SigI",
"value": 1.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.570
},
{
"type": "CC(1/2)",
"value": 0.555
}
]
},
{
"resolution_limits": [2.840,2.760],
"number_observations": 14177,
"number_observations_unique": 2062,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.082
},
{
"type": "R(meas)",
"value": 1.171
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.875
},
{
"type": "CC(1/2)",
"value": 0.640
}
]
},
{
"resolution_limits": [2.930,2.840],
"number_observations": 13696,
"number_observations_unique": 2000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.886
},
{
"type": "R(meas)",
"value": 0.959
},
{
"type": "I/SigI",
"value": 2.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.848
},
{
"type": "CC(1/2)",
"value": 0.754
}
]
},
{
"resolution_limits": [3.040,2.930],
"number_observations": 13122,
"number_observations_unique": 1954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.690
},
{
"type": "R(meas)",
"value": 0.748
},
{
"type": "I/SigI",
"value": 3.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.715
},
{
"type": "CC(1/2)",
"value": 0.824
}
]
},
{
"resolution_limits": [3.150,3.040],
"number_observations": 12398,
"number_observations_unique": 1893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.515
},
{
"type": "R(meas)",
"value": 0.560
},
{
"type": "I/SigI",
"value": 3.920
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.549
},
{
"type": "CC(1/2)",
"value": 0.897
}
]
},
{
"resolution_limits": [3.280,3.150],
"number_observations": 11380,
"number_observations_unique": 1798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "R(meas)",
"value": 0.398
},
{
"type": "I/SigI",
"value": 5.280
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.329
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [3.420,3.280],
"number_observations": 11421,
"number_observations_unique": 1745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "R(meas)",
"value": 0.291
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.545
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [3.590,3.420],
"number_observations": 11309,
"number_observations_unique": 1649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 9.360
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.858
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.790,3.590],
"number_observations": 10767,
"number_observations_unique": 1593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 12.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.759
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [4.020,3.790],
"number_observations": 10091,
"number_observations_unique": 1521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 15.280
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.634
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.290,4.020],
"number_observations": 8950,
"number_observations_unique": 1424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 17.740
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.285
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.640,4.290],
"number_observations": 8636,
"number_observations_unique": 1325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 21.410
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.518
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.080,4.640],
"number_observations": 8295,
"number_observations_unique": 1227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 22.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.760
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.680,5.080],
"number_observations": 7369,
"number_observations_unique": 1124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 21.810
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.556
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.560,5.680],
"number_observations": 6093,
"number_observations_unique": 1007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 21.320
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.051
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [8.030,6.560],
"number_observations": 5524,
"number_observations_unique": 850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 25.350
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.499
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [11.360,8.030],
"number_observations": 4175,
"number_observations_unique": 683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 31.380
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.113
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [48.440,11.360],
"number_observations": 2248,
"number_observations_unique": 410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 31.690
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.483
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}